2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide

C16H15F17N2O3 — CID 3119876

About 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide

2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide (PubChem CID 3119876) has the molecular formula C16H15F17N2O3 and a molecular weight of 606.27 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide.

Molecular Properties

• Compound Name: 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide
• PubChem CID: 3119876
• Molecular Formula: C16H15F17N2O3
• Molecular Weight: 606.27 g/mol
• Exact Mass: 606.08
• IUPAC Name: 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide
• SMILES: CN1CCCC1CCNC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C16H15F17N2O3/c1-35-6-2-3-7(35)4-5-34-8(36)9(17,12(21,22)23)37-16(32,33)11(20,14(27,28)29)38-15(30,31)10(18,19)13(24,25)26/h7H,2-6H2,1H3,(H,34,36)
• InChIKey: VAWZVOWJGZVHNG-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.27
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide?

The IUPAC name of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide (CID 3119876) is 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide.

What is the SMILES notation for 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide?

The canonical SMILES for 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide is CN1CCCC1CCNC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F.

What is the InChIKey of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide?

The InChIKey is VAWZVOWJGZVHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F17N2O3/c1-35-6-2-3-7(35)4-5-34-8(36)9(17,12(21,22)23)37-16(32,33)11(20,14(27,28)29)38-15(30,31)10(18,19)13(24,25)26/h7H,2-6H2,1H3,(H,34,36).

What are the key properties of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide?

2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide has a molecular weight of 606.27 g/mol, XLogP of 5.46, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide is sourced from PubChem (CID 3119876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).